Vitas-M small molecule compound
(6E)-6-{[1-(2,4-dimethoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(3-methylphenyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Catalog ID
STL224962
SMILES COc1cc(OC)ccc1n1c(C)cc(c1C)/C=C\1/C(=O)N=c2n(C1=N)nc(s2)c1cccc(c1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C27H25N5O3S MW 499.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S/c1-15-7-6-8-18(11-15)26-30-32-24(28)21(25(33)29-27(32)36-26)13-19-12-16(2)31(17(19)3)22-10-9-20(34-4)14-23(22)35-5/h6-14,28H,1-5H3/b21-13+,28-24-InChIKey
FAUIJKWZRLJVAL-KIVSHFIPSA-NSynonyms
877646-88-3(6E)6((1(24dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylidene)5imino2(3methylphenyl)56dihydro7H(134)thiadiazolo(32a)pyrimidin7one
(E)6((1(24dimethoxyphenyl)25dimethyl1Hpyrrol3yl)methylene)5imino2(mtolyl)5H(134)thiadiazolo(32a)pyrimidin7(6H)one
877646883
COc1cc(OC)ccc1n1c(C)cc(c1C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccc(c1)C
MFCD05705331
ZINC000009293634
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